BDBM50365062 CHEMBL1951072::Sulfonamide, 1
SMILES: COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1C(C)Cc2ccccc12
InChI Key: InChIKey=WCESRWVTCVMYMU-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bifunctional protein (GlmU) (Escherichia coli) | BDBM50365062 (CHEMBL1951072 | Sulfonamide, 1) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | 7.35 | n/a |
AstraZeneca | Assay Description Inhibition assay using GlmU bifuncation enzyme with various bacterial strains. | J Biol Chem 286: 40734-42 (2011) Article DOI: 10.1074/jbc.M111.274068 BindingDB Entry DOI: 10.7270/Q2BP01DD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Bifunctional protein (GlmU) (Haemophilus influenzae) | BDBM50365062 (CHEMBL1951072 | Sulfonamide, 1) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | 7.35 | n/a |
AstraZeneca | Assay Description Inhibition assay using GlmU bifuncation enzyme with various bacterial strains. | J Biol Chem 286: 40734-42 (2011) Article DOI: 10.1074/jbc.M111.274068 BindingDB Entry DOI: 10.7270/Q2BP01DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional protein GlmU (Streptococcus pneumoniae) | BDBM50365062 (CHEMBL1951072 | Sulfonamide, 1) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston Curated by ChEMBL | Assay Description Inhibition of Streptococcus pneumoniae acetyltransferase activity of GlmU using acetyl-CoA and glucosamine-1-phosphate after 30 mins by Ellman's meth... | Bioorg Med Chem Lett 22: 1510-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.016 BindingDB Entry DOI: 10.7270/Q23J3DF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional protein (GlmU) (Staphylococcus aureus) | BDBM50365062 (CHEMBL1951072 | Sulfonamide, 1) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | 7.35 | n/a |
AstraZeneca | Assay Description Inhibition assay using GlmU bifuncation enzyme with various bacterial strains. | J Biol Chem 286: 40734-42 (2011) Article DOI: 10.1074/jbc.M111.274068 BindingDB Entry DOI: 10.7270/Q2BP01DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional protein (GlmU) (Streptococcus pneumoniae) | BDBM50365062 (CHEMBL1951072 | Sulfonamide, 1) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | 7.35 | n/a |
AstraZeneca | Assay Description Inhibition assay using GlmU bifuncation enzyme with various bacterial strains. | J Biol Chem 286: 40734-42 (2011) Article DOI: 10.1074/jbc.M111.274068 BindingDB Entry DOI: 10.7270/Q2BP01DD | |||||||||||
More data for this Ligand-Target Pair |